N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide

C25H23N3O3 — CID 1425253

About N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide

N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 1425253) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 1425253
• Molecular Formula: C25H23N3O3
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
• SMILES: COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccc(C)cc3C)cc2c1
• InChI: InChI=1S/C25H23N3O3/c1-16-6-9-23(17(2)11-16)28(25(30)18-5-4-10-26-14-18)15-20-12-19-13-21(31-3)7-8-22(19)27-24(20)29/h4-14H,15H2,1-3H3,(H,27,29)
• InChIKey: KUWGVKWWRHHZCI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (CID 1425253) is N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccc(C)cc3C)cc2c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?

The InChIKey is KUWGVKWWRHHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-6-9-23(17(2)11-16)28(25(30)18-5-4-10-26-14-18)15-20-12-19-13-21(31-3)7-8-22(19)27-24(20)29/h4-14H,15H2,1-3H3,(H,27,29).

What are the key properties of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?

N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).